4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide

C18H26F2N2O3S — CID 16572718

IUPAC4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCCCCC1
InChIInChI=1S/C18H26F2N2O3S/c1-22(2)18(11-5-3-4-6-12-18)13-21-16(23)14-7-9-15(10-8-14)26(24,25)17(19)20/h7-10,17H,3-6,11-13H2,1-2H3,(H,21,23)
InChIKeyNHGWXPZWUYCRIK-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.07
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide

4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide (PubChem CID 16572718) has the molecular formula C18H26F2N2O3S and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
PubChem CID16572718
Molecular FormulaC18H26F2N2O3S
Molecular Weight388.48 g/mol
Exact Mass388.16
IUPAC Name4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCCCCC1
InChIInChI=1S/C18H26F2N2O3S/c1-22(2)18(11-5-3-4-6-12-18)13-21-16(23)14-7-9-15(10-8-14)26(24,25)17(19)20/h7-10,17H,3-6,11-13H2,1-2H3,(H,21,23)
InChIKeyNHGWXPZWUYCRIK-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 4881417
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 55735491
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 8502045
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16559256
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-methyl-4-nitrobenzamide
CID 16960831
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
CID 4781249

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide (CID 16572718) is 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide is CN(C)C1(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCCCCC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide?
The InChIKey is NHGWXPZWUYCRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3S/c1-22(2)18(11-5-3-4-6-12-18)13-21-16(23)14-7-9-15(10-8-14)26(24,25)17(19)20/h7-10,17H,3-6,11-13H2,1-2H3,(H,21,23).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide has a molecular weight of 388.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide is sourced from PubChem (CID 16572718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).